1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-phenoxyethan-1-one
1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SC55-0517 |
| Compound Name: | 1-{6-benzyl-8-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2,6-diazaspiro[3.4]octan-2-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CC(C)c1nc(C2CN(Cc3ccccc3)CC23CN(C3)C(COc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1216 |
| logD: | -1.1793 |
| logSw: | -3.127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.535 |
| InChI Key: | UNTCPAHWEJDVOW-JOCHJYFZSA-N |